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gam_terms/structure/
anova_atom.rs

1//! Post-fit functional-ANOVA carve of a fitted product-manifold atom (#975).
2//!
3//! # The carving problem
4//!
5//! Two circular attributes in superposition (weekday θ₁, month θ₂) trace a
6//! torus in activation space. Is that ONE T² atom or TWO superposed S¹
7//! atoms? Reconstruction cannot tell — same surface — so a learner without
8//! a principled criterion carves arbitrarily and "the dictionary" is an
9//! artifact of the carve. The GAM-native answer is functional ANOVA over
10//! the product manifold:
11//!
12//! ```text
13//!   g(θ₁, θ₂) = g₀ + f₁(θ₁) + f₂(θ₂) + f₁₂(θ₁, θ₂)
14//! ```
15//!
16//! with sum-to-zero centering against the EMPIRICAL CODE MEASURE (the
17//! averaging measure is itself a gauge choice; we pin it to the code
18//! sample and say so). Then **superposition = additivity** (`f₁₂ ≡ 0` ⇔
19//! the torus IS two superposed circles, and fission along ANOVA lines is
20//! lossless) and **binding = interaction** (`f₁₂ ≠ 0` is genuine joint
21//! structure; the atom is irreducible).
22//!
23//! # Why not just covariance in activations?
24//!
25//! Covariance is a second-moment statistic of the POINT CLOUD; the carve
26//! question is about the FUNCTIONAL FACTORIZATION of the surface. A bound
27//! torus and two superposed circles can trace the same point set with the
28//! same second moments — covariance sees the embedding, not whether the
29//! decoder map factors additively through the two angles. Independence of
30//! the codes (θ₁ ⫫ θ₂) is a third, separate property: codes can be
31//! dependent while the decoder is perfectly additive, and vice versa. Only
32//! the ANOVA interaction block answers "one atom or two".
33//!
34//! # Two inequivalent binding notions (both first-class here)
35//!
36//! - **Representational** binding: non-additivity of the DECODER `g` —
37//!   does the surface embed as two superposed atoms?
38//! - **Computational** binding: non-additivity of the pulled-back READOUT
39//!   `h(θ₁,θ₂) = F(g(θ₁,θ₂))` (logit jets through the forward map, #980) —
40//!   does the model USE the two angles jointly?
41//!
42//! All four quadrants occur. Independent steerability ("turn the weekday
43//! knob without dragging month behavior") requires additivity in BOTH
44//! senses, so the carve decision distinguishes them explicitly
45//! ([`FissionDecision`]): the same machinery runs twice — once on the
46//! decoder coefficients, once on readout-pulled-back coefficients — and
47//! choosing with only the representational arm is reported as such, never
48//! silently.
49//!
50//! # Not everything is clean — the quantitative dial
51//!
52//! A real model can be sort-of-bound: `f₁₂` small but nonzero, or binding
53//! present in the readout but not the embedding. The carve therefore never
54//! emits a bare verdict: [`CarveReport::interaction_fraction`] is the
55//! fraction of (centered) surface energy carried by the interaction — a
56//! continuous "how bound" number — and the planted-partial-binding power
57//! curve lives on exactly this dial. The binding test rejects when the
58//! data PROVES `f₁₂ ≠ 0`; fission additionally demands the interaction be
59//! energetically negligible, because absence of evidence is not evidence
60//! of absence. Atoms failing both stay whole and CONTESTED — the
61//! demote-never-reject philosophy: the claim goes to the evidence ledger
62//! (`structure_evidence::ClaimKind::BindingEdge`, p-value calibrated via
63//! `structure_evidence::log_e_from_p_calibrator`) and earns a probe
64//! budget, instead of a silent carve either way.
65//!
66//! # Post-fit by design
67//!
68//! This module is a PURE READ of a fitted tensor-product decoder: the
69//! caller supplies the factor bases evaluated on the code sample and the
70//! per-output-dim coefficient matrices (plus, optionally, their posterior
71//! covariance for the Wald test). It deliberately does NOT add an
72//! in-fit ANOVA basis kind: two independent circles are just two atoms
73//! summing — ordinary superposition, the default multi-atom model — so
74//! the product machinery is only ever needed at the moment a fitted pair
75//! shows dependent codes and the structure search must adjudicate
76//! merge-vs-keep. That adjudication consumes this carve.
77//!
78//! # The gauge inside the test (load-bearing)
79//!
80//! On a partition-of-unity factor basis (B-splines: `Σ_j φ_j ≡ 1`) the
81//! empirically centered basis functions `φ̃_j = φ_j − mean_n φ_j(θ_n)`
82//! carry one exact linear dependence per factor: `Σ_j φ̃_j ≡ 0`. The
83//! coefficient directions `u vᵀ + w uᵀ` (u the dependence vector) change
84//! NOTHING about `f₁₂` — they are pure gauge, their posterior values are
85//! penalty-set noise, and a Wald statistic that includes them is wrong.
86//! The binding test therefore projects the interaction block onto the
87//! gauge quotient (`C ↦ P₁ C P₂`, `P_i = I − û_i û_iᵀ`) before testing;
88//! the quotient dimension `(M₁−1)(M₂−1)` is the test's honest rank.
89
90use ndarray::{Array1, Array2, ArrayView1, ArrayView2, s};
91
92use crate::grid_spline_2d::{GridSpline2dDesign, axis_basis_at};
93use crate::inference::smooth_test::{
94    SmoothTestInput, SmoothTestResult, SmoothTestScale, wood_smooth_test,
95};
96use gam_linalg::faer_ndarray::FaerEigh;
97use gam_math::score_opt::AffineRemlProfile;
98
99/// Interaction energy fraction at or below which the interaction block is
100/// energetically negligible and lossless fission is on the table. The bar is
101/// the finite-sample NOISE FLOOR of the interaction estimate, not exact
102/// algebraic zero. A planted, exactly-additive coefficient matrix carves to
103/// numerical zero (≈ f64 roundoff), but a real REML fit of a genuinely
104/// separable surface over noisy scattered codes cannot drive its penalized
105/// interaction block below the variance its own estimator injects: a 5%-noise
106/// pair fit lands at ~`1e-4` of centered surface energy (a relative amplitude of
107/// `1e-2`, ≈ √fraction). `1e-4` sits just above that estimator floor so a
108/// separable atom actually fissions end to end (the production
109/// `fit_pair_surface → carve` path, which the planted in-module tests do not
110/// exercise), while staying far below any genuine interaction — the bound
111/// panels carry fractions orders of magnitude larger, and the companion binding
112/// Wald test resolves small-but-real interactions besides. Auto-applied — no
113/// knob.
114pub const FISSION_MAX_INTERACTION_FRACTION: f64 = 1e-4;
115
116/// Interaction energy fraction at or below which the gauge-projected
117/// interaction block is f64 roundoff rather than signal, so the binding Wald
118/// test cannot constitute proof of binding. An exactly-additive surface fits to
119/// machine precision; its scale-included posterior covariance collapses
120/// (`σ̂² → 0`) while the projected interaction coefficients are pure centering
121/// roundoff, so the Wald statistic degenerates into a `0/0` ratio — roundoff
122/// coefficients divided by a vanishing covariance — that can read as
123/// overwhelmingly significant (`p ≈ 0`). At or below this floor (a relative
124/// amplitude of `1e-6`, far above the ~`1e-30` roundoff an exactly-additive
125/// carve actually lands at, yet far below any interaction a finite-sample fit
126/// can statistically resolve) the surface is additive by construction and no
127/// such statistic counts as binding: absence of an interaction is not evidence
128/// of one. This keeps a numerically-additive atom from being held whole on a
129/// phantom edge. Auto-applied — no knob.
130const INTERACTION_NUMERICAL_FLOOR: f64 = 1e-12;
131
132/// Which binding notion a carve report speaks about (see module docs; the
133/// two are independent and a complete adjudication runs both).
134#[derive(Clone, Copy, Debug, PartialEq, Eq)]
135pub enum BindingNotion {
136    /// Decoder non-additivity: does the surface EMBED as two atoms?
137    Representational,
138    /// Pulled-back readout non-additivity: does the model USE the two
139    /// coordinates jointly? (Coefficients come from fitting the same
140    /// tensor basis to `h = F(g)` via the #980 output-Fisher harvest.)
141    Computational,
142}
143
144/// The exact ANOVA reparameterization of one output dimension's tensor
145/// coefficient matrix `C` (`M₁ × M₂`) under empirical-measure centering.
146/// With `m_i` the empirical mean of factor `i`'s basis over the code
147/// sample and `φ̃ = φ − m`, the surface decomposes EXACTLY (an identity,
148/// not an approximation):
149///
150/// ```text
151///   φ¹ᵀ C φ² = mean + φ̃¹ᵀ·main_a + φ̃²ᵀ·main_b + φ̃¹ᵀ C φ̃²
152/// ```
153///
154/// so `mean = m₁ᵀ C m₂`, `main_a = C m₂`, `main_b = Cᵀ m₁`, and the
155/// interaction block on the centered tensor basis is `C` itself (tested
156/// in its gauge quotient, see module docs).
157#[derive(Clone, Debug)]
158pub struct AnovaBlocks {
159    pub mean: f64,
160    pub main_a: Array1<f64>,
161    pub main_b: Array1<f64>,
162}
163
164/// Empirical mean of each basis column over the code sample — the
165/// centering vector `m` that pins the ANOVA gauge to the empirical code
166/// measure.
167pub fn basis_means(phi: ArrayView2<'_, f64>) -> Array1<f64> {
168    let n = phi.nrows().max(1) as f64;
169    let mut m = Array1::<f64>::zeros(phi.ncols());
170    for row in phi.rows() {
171        for (j, &v) in row.iter().enumerate() {
172            m[j] += v;
173        }
174    }
175    m.mapv_inplace(|v| v / n);
176    m
177}
178
179/// The exact reparameterization (see [`AnovaBlocks`]).
180pub fn anova_blocks(
181    c: ArrayView2<'_, f64>,
182    mean_a: ArrayView1<'_, f64>,
183    mean_b: ArrayView1<'_, f64>,
184) -> Result<AnovaBlocks, String> {
185    let (m1, m2) = c.dim();
186    if mean_a.len() != m1 || mean_b.len() != m2 {
187        return Err(format!(
188            "anova_blocks: coefficient matrix is {m1}×{m2} but centering means have lengths {} and {}",
189            mean_a.len(),
190            mean_b.len()
191        ));
192    }
193    let main_a = c.dot(&mean_b);
194    let main_b = c.t().dot(&mean_a);
195    let mean = mean_a.dot(&main_a);
196    Ok(AnovaBlocks {
197        mean,
198        main_a,
199        main_b,
200    })
201}
202
203/// One child atom's 1-D decoder for one output dimension, expressed on
204/// the CENTERED factor basis plus an explicit constant — basis-agnostic,
205/// no partition-of-unity assumption baked in. The child surface is
206/// `constant + φ̃(θ)ᵀ·centered_coeffs`.
207#[derive(Clone, Debug)]
208pub struct ChildDecoder {
209    pub constant: f64,
210    pub centered_coeffs: Array1<f64>,
211}
212
213impl ChildDecoder {
214    /// Fold the constant back into raw basis coefficients for a
215    /// partition-of-unity basis (`Σ_j φ_j ≡ 1`, e.g. B-splines):
216    /// `constant + φ̃ᵀa = φᵀ(a + (constant − mᵀa)·1)`. For non-PoU bases
217    /// keep the explicit-constant form instead.
218    pub fn raw_coeffs_partition_of_unity(&self, means: ArrayView1<'_, f64>) -> Array1<f64> {
219        let shift = self.constant - means.dot(&self.centered_coeffs);
220        self.centered_coeffs.mapv(|v| v) + Array1::from_elem(self.centered_coeffs.len(), shift)
221    }
222}
223
224/// The lossless-on-the-additive-part split: child atoms inheriting the
225/// main-effect blocks. Gauge choice (documented, fixed): the grand mean
226/// `g₀` rides with child A; child B is centered. The interaction energy
227/// the split discards is DECLARED in `reconstruction_defect` — by the
228/// fission rule it is ≤ [`FISSION_MAX_INTERACTION_FRACTION`], but it is
229/// never silently zero.
230#[derive(Clone, Debug)]
231pub struct FissionPlan {
232    /// Per output dimension: child atom on factor A (`g₀ + f₁`).
233    pub child_a: Vec<ChildDecoder>,
234    /// Per output dimension: child atom on factor B (`f₂`).
235    pub child_b: Vec<ChildDecoder>,
236    /// Interaction energy fraction the split throws away.
237    pub reconstruction_defect: f64,
238}
239
240/// What the carve concluded for one binding notion.
241#[derive(Clone, Debug)]
242pub struct CarveReport {
243    pub notion: BindingNotion,
244    /// Wood-style Wald test of the gauge-projected interaction block, one
245    /// per output dimension (`None` where covariance was unavailable or
246    /// the test degenerated).
247    pub binding_tests: Vec<Option<SmoothTestResult>>,
248    /// Edge-level binding p-value: Bonferroni min-p across output
249    /// dimensions (conservative under arbitrary cross-dimension
250    /// dependence — the dimensions share every code). `None` when no
251    /// per-dimension test ran. This is the number that feeds
252    /// `structure_evidence::ClaimKind::BindingEdge` through
253    /// `log_e_from_p_calibrator`.
254    pub edge_p_value: Option<f64>,
255    /// Fraction of centered surface energy carried by the interaction,
256    /// aggregated over output dimensions — the continuous "how bound"
257    /// dial (0 = perfectly additive, 1 = pure interaction).
258    pub interaction_fraction: f64,
259    /// The lossless split, present iff this notion's carve allows it:
260    /// interaction energetically negligible AND not proven present.
261    pub fission: Option<FissionPlan>,
262}
263
264/// The joint adjudication over both notions — three-valued on purpose:
265/// the representational and computational carves differ exactly on the
266/// off-diagonal quadrants, so collapsing them silently is the one
267/// forbidden move.
268#[derive(Clone, Copy, Debug, PartialEq, Eq)]
269pub enum FissionDecision {
270    /// Both notions additive: the split is safe for every downstream use,
271    /// including independent-knob steering.
272    SplitCertifiedJoint,
273    /// Decoder additive but the computational arm was NOT run (no readout
274    /// coefficients supplied): the split is certified for reconstruction
275    /// only — steering independence is unverified.
276    SplitReconstructionOnly,
277    /// At least one ran notion refuses (binding proven or interaction
278    /// non-negligible): the atom stays whole and contested.
279    Keep,
280}
281
282/// A penalized tensor-surface fit over the code sample: the producer of
283/// [`CarveInput`]s for BOTH binding notions (#993 items 1–2).
284///
285/// `coeffs[d]` is the fitted `M₁ × M₂` coefficient matrix for response
286/// dimension `d`; `coeff_covariance[d]` is the matching SCALE-INCLUDED
287/// posterior covariance of its row-major vec (the mgcv-`Vb` object
288/// [`wood_smooth_test`] contracts for); `joint_covariance()` assembles
289/// the cross-dimension covariance for the joint binding test. The fit is
290/// evaluated against the SAME empirical code measure the carve centers
291/// against — the test and its covariance live on one measure by
292/// construction, which is the coherence the production fit's own Hessian
293/// (a different parameterization: tangent frames, not tensor
294/// coefficients) cannot offer the carve.
295#[derive(Clone, Debug)]
296pub struct TensorSurfaceFit {
297    /// Per response dimension, `M₁ × M₂`.
298    pub coeffs: Vec<Array2<f64>>,
299    /// Per response dimension, scale-included `Vb` of the row-major vec.
300    pub coeff_covariance: Vec<Array2<f64>>,
301    /// Scale-included residual cross-covariance between response
302    /// dimensions (`D × D`, entries `r_dᵀ r_e / (n − edf)`). Diagonal
303    /// entries are the per-dimension scales the `Vb`s carry.
304    pub residual_cross_cov: Array2<f64>,
305    /// Scale-FREE coefficient covariance shared by all dimensions
306    /// (`V (Λ+λI)⁻¹ Vᵀ`, `M₁M₂ × M₁M₂`); `coeff_covariance[d]` is this
307    /// times `residual_cross_cov[d,d]`.
308    pub unit_covariance: Array2<f64>,
309    /// REML-selected ridge strength.
310    pub lambda: f64,
311    /// Effective degrees of freedom `Σ dᵢ/(dᵢ+λ)` (per dimension; the
312    /// design and λ are shared).
313    pub edf: f64,
314    /// Residual degrees of freedom `n − edf` (the denominator d.f. for
315    /// the `Estimated`-scale F branch).
316    pub residual_df: f64,
317}
318
319impl TensorSurfaceFit {
320    /// Joint covariance of the dimension-major stacked coefficient vector
321    /// `[vec(C₀); vec(C₁); …]`: with a shared design and shared λ the
322    /// posterior is the Kronecker product
323    /// `residual_cross_cov ⊗ unit_covariance` — index `(d·M + i, e·M + j)
324    /// = S[d,e]·U[i,j]`. Feed to [`CarveInput::joint_coeff_covariance`].
325    pub fn joint_covariance(&self) -> Array2<f64> {
326        let d_dims = self.residual_cross_cov.nrows();
327        let m = self.unit_covariance.nrows();
328        let mut joint = Array2::<f64>::zeros((d_dims * m, d_dims * m));
329        for d in 0..d_dims {
330            for e in 0..d_dims {
331                let s_de = self.residual_cross_cov[[d, e]];
332                if s_de == 0.0 {
333                    continue;
334                }
335                for i in 0..m {
336                    for j in 0..m {
337                        joint[[d * m + i, e * m + j]] = s_de * self.unit_covariance[[i, j]];
338                    }
339                }
340            }
341        }
342        joint
343    }
344}
345
346/// Fit the tensor-product surface `y_d(θ₁,θ₂) ≈ φ¹(θ₁)ᵀ C_d φ²(θ₂)` to
347/// sampled responses by ridge-penalized least squares with the ridge
348/// strength chosen by GAUSSIAN REML (profiled σ², exact 1-D criterion on
349/// the design's eigenbasis — no GCV, per policy), returning coefficients
350/// AND their scale-included posterior covariance.
351///
352/// This is the missing producer #993 names for both carve arms:
353/// - **representational**: `responses` = the atom's activation
354///   contributions over the code sample (its reconstruction targets);
355/// - **computational**: `responses` = the pulled-back readout
356///   `h(θ₁,θ₂) = F(g(θ))` rows from the #980 output-Fisher harvest.
357///
358/// `phi_a`/`phi_b` are the factor bases on the code sample (`n × M_i`,
359/// the same matrices the carve consumes — one measure end to end);
360/// `responses` is `n × D`. The design column for `(j, k)` is
361/// `φ¹_j·φ²_k` at row-major index `j·M₂+k`, matching the carve's vec
362/// convention exactly. One λ is shared across response dimensions (one
363/// surface smoothness), chosen by the pooled REML criterion; per-dim
364/// scales are estimated from residuals at `n − edf`.
365pub fn fit_tensor_surface(
366    phi_a: ArrayView2<'_, f64>,
367    phi_b: ArrayView2<'_, f64>,
368    responses: ArrayView2<'_, f64>,
369) -> Result<TensorSurfaceFit, String> {
370    let n = phi_a.nrows();
371    let m1 = phi_a.ncols();
372    let m2 = phi_b.ncols();
373    let mm = m1 * m2;
374    let d_dims = responses.ncols();
375    if phi_b.nrows() != n || responses.nrows() != n {
376        return Err(format!(
377            "fit_tensor_surface: sample sizes disagree (phi_a {n}, phi_b {}, responses {})",
378            phi_b.nrows(),
379            responses.nrows()
380        ));
381    }
382    if mm == 0 || d_dims == 0 || n < 2 {
383        return Err(format!(
384            "fit_tensor_surface: degenerate problem (n={n}, M₁M₂={mm}, D={d_dims})"
385        ));
386    }
387
388    // Design X (n × M₁M₂), row-major column convention j·M₂+k.
389    let mut x = Array2::<f64>::zeros((n, mm));
390    for r in 0..n {
391        for j in 0..m1 {
392            let pa = phi_a[[r, j]];
393            if pa == 0.0 {
394                continue;
395            }
396            for k in 0..m2 {
397                x[[r, j * m2 + k]] = pa * phi_b[[r, k]];
398            }
399        }
400    }
401    let xtx = x.t().dot(&x);
402    let xty = x.t().dot(&responses); // mm × D
403    let (evals, evecs) = xtx
404        .eigh(faer::Side::Lower)
405        .map_err(|e| format!("fit_tensor_surface: design eigendecomposition failed: {e:?}"))?;
406    let spectral_radius = evals
407        .iter()
408        .map(|value| value.abs())
409        .fold(0.0_f64, f64::max);
410    if !spectral_radius.is_finite() {
411        return Err("fit_tensor_surface: design eigendecomposition is non-finite".to_string());
412    }
413    // XᵀX is positive semidefinite.  Permit projection to the PSD cone only
414    // inside the eigensolver's dimension-scaled backward-error band; a mode
415    // below that band is evidence of invalid arithmetic, not a zero mode.
416    let spectral_roundoff = f64::EPSILON * mm as f64 * spectral_radius;
417    let mut gram_modes = Vec::with_capacity(mm);
418    for (index, &value) in evals.iter().enumerate() {
419        if value < -spectral_roundoff {
420            return Err(format!(
421                "fit_tensor_surface: Gram eigenvalue {index} is {value}, below the PSD \
422                 roundoff band -{spectral_roundoff}"
423            ));
424        }
425        gram_modes.push(value.max(0.0));
426    }
427    let d_max = gram_modes.iter().copied().fold(0.0f64, f64::max);
428    if !(d_max > 0.0) {
429        return Err("fit_tensor_surface: design is identically zero".to_string());
430    }
431    let b = evecs.t().dot(&xty); // mm × D, rotated cross-products
432    let yty: Vec<f64> = (0..d_dims)
433        .map(|d| responses.column(d).dot(&responses.column(d)))
434        .collect();
435    let mut null_score = 0.0_f64;
436    for (output, &energy) in yty.iter().enumerate() {
437        if !(energy.is_finite() && energy > 0.0) {
438            return Err(format!(
439                "fit_tensor_surface: response {output} has non-positive energy {energy}; \
440                 its profiled Gaussian scale has no finite REML optimum"
441            ));
442        }
443        null_score += energy.ln() - (n as f64).ln();
444    }
445    null_score *= -0.5 * n as f64;
446
447    // Pooled Gaussian REML in the eigensystem.  For h_i(λ) = d_i + λ,
448    // the profiled score is
449    //
450    //   -1/2 { n Σ_d log(PRSS_d/n)
451    //          + D [Σ_i log h_i - M log λ] },
452    //   PRSS_d = y_dᵀy_d - Σ_i b_id²/h_i.
453    //
454    // `AffineRemlProfile` evaluates this expression together with its exact
455    // first two log-λ derivatives and rigorous derivative enclosures.  The
456    // global search can therefore discard an interval only after proving that
457    // it contains no stationary point; every isolated stationary point and
458    // both finite boundaries participate in the final comparison.
459    // Normalize the pencil by its largest Gram eigenvalue.  This is an exact
460    // change of smoothing-parameter coordinates, λ = d_max·exp(ρ): every
461    // `log(d_i + λ) - log(λ)` contribution is invariant, while exponentiating
462    // ρ cannot underflow merely because the input basis carries extreme units.
463    let profile_gram_modes: Vec<f64> = gram_modes.iter().map(|&value| value / d_max).collect();
464    let penalty_modes = vec![1.0; mm];
465    let rhs_scale = d_max.sqrt();
466    let mut projected_rhs_squared = Vec::with_capacity(mm * d_dims);
467    for d in 0..d_dims {
468        for i in 0..mm {
469            let normalized_rhs = b[[i, d]] / rhs_scale;
470            projected_rhs_squared.push(normalized_rhs * normalized_rhs);
471        }
472    }
473    let profile = AffineRemlProfile::new(
474        &profile_gram_modes,
475        &penalty_modes,
476        &projected_rhs_squared,
477        &yty,
478        n as f64,
479        mm,
480        0.0,
481    )
482    .map_err(|error| format!("fit_tensor_surface: invalid REML profile: {error}"))?;
483
484    // Cover every spectral transition without a user- or lattice-resolution
485    // knob. At the lower bound λ/d_min = sqrt(machine epsilon), so every
486    // positive Gram mode is numerically at its λ→0 limit; at the upper
487    // bound d_max/λ has the same relation and every mode is at its null-fit
488    // limit. The true λ=∞ null is compared analytically below instead of
489    // being approximated by that finite upper bound.
490    let d_min_relative = profile_gram_modes
491        .iter()
492        .copied()
493        .filter(|&value| value > 0.0)
494        .fold(f64::INFINITY, f64::min);
495    let relative_resolution = f64::EPSILON.sqrt();
496    let log_relative_resolution = relative_resolution.ln();
497    let log_lambda_lo = (d_min_relative.ln() + log_relative_resolution).max(f64::MIN_POSITIVE.ln());
498    let log_lambda_hi = -log_relative_resolution;
499    let search = profile
500        .maximize(log_lambda_lo, log_lambda_hi, relative_resolution)
501        .map_err(|error| {
502            format!("fit_tensor_surface: REML stationary isolation failed: {error}")
503        })?;
504
505    // Exact full-shrinkage boundary. As λ→∞ the determinant correction
506    // is identically zero and PRSS_d→y_dᵀy_d. Choosing infinity is safe for
507    // the algebra below (coefficients, EDF, and covariance all become zero) and
508    // makes null recovery exact rather than a large-finite-λ approximation.
509    let lambda = if null_score >= search.optimum.value {
510        f64::INFINITY
511    } else {
512        d_max * search.optimum.x.exp()
513    };
514
515    // Coefficients, EDF, residuals, covariances at the selected λ.
516    let mut edf = 0.0f64;
517    for i in 0..mm {
518        let d_i = gram_modes[i];
519        edf += d_i / (d_i + lambda);
520    }
521    let residual_df = n as f64 - edf;
522    if residual_df < 1.0 {
523        return Err(format!(
524            "fit_tensor_surface: too few samples for the surface (n={n}, edf={edf:.2}); \
525             the scale estimate needs n − edf ≥ 1"
526        ));
527    }
528    // β̂ in the eigenbasis, then rotate back: beta = V (Λ+λ)⁻¹ b.
529    let mut beta_rot = Array2::<f64>::zeros((mm, d_dims));
530    for i in 0..mm {
531        let denom = gram_modes[i] + lambda;
532        for d in 0..d_dims {
533            beta_rot[[i, d]] = b[[i, d]] / denom;
534        }
535    }
536    let beta = evecs.dot(&beta_rot); // mm × D
537    let fitted = x.dot(&beta); // n × D
538    let mut residual_cross_cov = Array2::<f64>::zeros((d_dims, d_dims));
539    for d in 0..d_dims {
540        for e in d..d_dims {
541            let mut acc = 0.0f64;
542            for r in 0..n {
543                acc += (responses[[r, d]] - fitted[[r, d]]) * (responses[[r, e]] - fitted[[r, e]]);
544            }
545            let v = acc / residual_df;
546            residual_cross_cov[[d, e]] = v;
547            residual_cross_cov[[e, d]] = v;
548        }
549    }
550    // Scale-free V (Λ+λ)⁻¹ Vᵀ.
551    let mut scaled_evecs = evecs.clone();
552    for i in 0..mm {
553        let denom = gram_modes[i] + lambda;
554        for row in 0..mm {
555            scaled_evecs[[row, i]] = evecs[[row, i]] / denom;
556        }
557    }
558    let unit_covariance = scaled_evecs.dot(&evecs.t());
559
560    let mut coeffs = Vec::with_capacity(d_dims);
561    let mut coeff_covariance = Vec::with_capacity(d_dims);
562    for d in 0..d_dims {
563        let mut c = Array2::<f64>::zeros((m1, m2));
564        for j in 0..m1 {
565            for k in 0..m2 {
566                c[[j, k]] = beta[[j * m2 + k, d]];
567            }
568        }
569        coeffs.push(c);
570        coeff_covariance.push(&unit_covariance * residual_cross_cov[[d, d]]);
571    }
572
573    Ok(TensorSurfaceFit {
574        coeffs,
575        coeff_covariance,
576        residual_cross_cov,
577        unit_covariance,
578        lambda,
579        edf,
580        residual_df,
581    })
582}
583
584/// The real-fit producer of a representational [`CarveInput`] from a fitted
585/// `d = 2` product atom (#993).
586///
587/// Holds the two factor bases the carve consumes plus the
588/// [`TensorSurfaceFit`] re-fit of the atom's own ambient reconstruction. The
589/// fit is what supplies the scale-included decoder-coefficient covariance
590/// (`coeff_covariance` / `joint_covariance`) — the production inner Hessian is
591/// a DIFFERENT parameterization (tangent frames, not tensor coefficients) and
592/// cannot offer the carve a coefficient-space `Vb`, so the carve's covariance
593/// is re-derived here on the same empirical code measure the test centers
594/// against (the coherence the module docs require). Owns its arrays so the
595/// borrowed [`CarveInput`] built via [`Self::representational_carve_input`] can
596/// reference them for the lifetime of the carve call.
597#[derive(Clone, Debug)]
598pub struct FittedAtomCarveInput {
599    /// Factor-A basis on the code sample, `n × M₁`.
600    pub phi_a: Array2<f64>,
601    /// Factor-B basis on the code sample, `n × M₂`.
602    pub phi_b: Array2<f64>,
603    /// REML re-fit of the atom's ambient reconstruction onto the tensor basis,
604    /// carrying the per-channel coefficient matrices and their scale-included
605    /// covariance.
606    pub surface: TensorSurfaceFit,
607    /// Cross-dimension joint covariance of the stacked coefficient vector
608    /// (`TensorSurfaceFit::joint_covariance`), materialized once so the
609    /// borrowed [`CarveInput`] can reference it.
610    pub joint_covariance: Array2<f64>,
611}
612
613impl FittedAtomCarveInput {
614    /// Borrow this bundle as a representational [`CarveInput`] ready for
615    /// [`carve`]. The coefficient covariance and the joint covariance come
616    /// from the REML re-fit; the gauge kernels default to the
617    /// partition-of-unity convention (`u = 1`), which is the correct centered-
618    /// basis null direction for the constant-leading harmonic factor bases.
619    pub fn representational_carve_input(&self) -> CarveInput<'_> {
620        CarveInput {
621            phi_a: self.phi_a.view(),
622            phi_b: self.phi_b.view(),
623            coeffs: self.surface.coeffs.as_slice(),
624            coeff_covariance: Some(self.surface.coeff_covariance.as_slice()),
625            joint_coeff_covariance: Some(&self.joint_covariance),
626            kernel_a: None,
627            kernel_b: None,
628            edf: Some(self.surface.edf),
629            residual_df: self.surface.residual_df,
630            scale: SmoothTestScale::Estimated,
631            notion: BindingNotion::Representational,
632        }
633    }
634}
635
636/// Build the representational carve inputs for a fitted `d = 2` product atom
637/// directly from its FUSED tensor basis and decoder (#993).
638///
639/// `basis_values` is the atom's `Φ_k` on the code sample (`n × M₁M₂`), laid
640/// out as the Kronecker product of the two per-axis factor bases in row-major
641/// column order `flat = j·M₂ + k` (the convention every product evaluator —
642/// `TorusHarmonicEvaluator`, `CylinderHarmonicEvaluator` — emits, with the
643/// per-axis CONSTANT column at axis-index 0). `decoder_coefficients` is `B_k`
644/// (`M₁M₂ × p`). `m_a`/`m_b` are the two factor basis sizes (`m_a·m_b` must
645/// equal the fused width).
646///
647/// The factor bases are recovered exactly from the fused basis using the
648/// constant-leading-column property: with `φ²₀ ≡ 1`, column `j·M₂` is
649/// `φ¹_j·φ²₀ = φ¹_j`, and with `φ¹₀ ≡ 1`, column `k` is `φ¹₀·φ²_k = φ²_k`. The
650/// recovered factorization is then VERIFIED against every fused column
651/// (`Φ[:, j·M₂+k] = φ¹_j·φ²_k` to a tight tolerance) so a non-separable basis
652/// (a wrong split, or a kind whose leading column is not the unit constant) is
653/// rejected loudly rather than silently mis-carved.
654///
655/// The carve responses are the atom's own ambient reconstruction
656/// `m_k(t) = Φ_k(t)·B_k` (`n × p`); fitting the tensor surface to it on the
657/// same code measure yields the scale-included coefficient covariance the
658/// binding Wald test needs. The reconstruction is an exact linear image of the
659/// decoder, so the re-fit recovers the decoder's own ANOVA structure (the
660/// representational binding question) with a covariance that is honest about
661/// the finite code sample.
662pub fn carve_input_from_fitted_atom(
663    basis_values: ArrayView2<'_, f64>,
664    decoder_coefficients: ArrayView2<'_, f64>,
665    m_a: usize,
666    m_b: usize,
667) -> Result<FittedAtomCarveInput, String> {
668    let n = basis_values.nrows();
669    let fused = basis_values.ncols();
670    let p = decoder_coefficients.ncols();
671    if m_a == 0 || m_b == 0 {
672        return Err(format!(
673            "carve_input_from_fitted_atom: degenerate factor sizes (m_a={m_a}, m_b={m_b})"
674        ));
675    }
676    if m_a.checked_mul(m_b) != Some(fused) {
677        return Err(format!(
678            "carve_input_from_fitted_atom: factor sizes {m_a}×{m_b} do not multiply to the \
679             fused basis width {fused}"
680        ));
681    }
682    if decoder_coefficients.nrows() != fused {
683        return Err(format!(
684            "carve_input_from_fitted_atom: decoder has {} rows but the fused basis is width {fused}",
685            decoder_coefficients.nrows()
686        ));
687    }
688    if n < 2 || p == 0 {
689        return Err(format!(
690            "carve_input_from_fitted_atom: degenerate sample (n={n}, p={p})"
691        ));
692    }
693
694    // Recover the factor bases from the constant-leading Kronecker layout:
695    // φ¹_j = Φ[:, j·M₂ + 0]  (φ²₀ ≡ 1),   φ²_k = Φ[:, 0·M₂ + k]  (φ¹₀ ≡ 1).
696    let mut phi_a = Array2::<f64>::zeros((n, m_a));
697    for j in 0..m_a {
698        let col = j * m_b;
699        for row in 0..n {
700            phi_a[[row, j]] = basis_values[[row, col]];
701        }
702    }
703    let mut phi_b = Array2::<f64>::zeros((n, m_b));
704    for k in 0..m_b {
705        for row in 0..n {
706            phi_b[[row, k]] = basis_values[[row, k]];
707        }
708    }
709
710    // Verify the fused basis really is the Kronecker product of the recovered
711    // factors (separability + constant-leading-column assumption). The check is
712    // relative to the fused magnitude so it is scale-honest; a non-product atom
713    // or a wrong split fails here instead of being silently mis-carved.
714    let mut max_abs = 0.0_f64;
715    for &v in basis_values.iter() {
716        max_abs = max_abs.max(v.abs());
717    }
718    let tol = 1e-9 * (1.0 + max_abs);
719    for j in 0..m_a {
720        for k in 0..m_b {
721            let col = j * m_b + k;
722            for row in 0..n {
723                let recon = phi_a[[row, j]] * phi_b[[row, k]];
724                if (recon - basis_values[[row, col]]).abs() > tol {
725                    return Err(format!(
726                        "carve_input_from_fitted_atom: fused basis is not the Kronecker product \
727                         of the {m_a}×{m_b} factor split (entry [{row},{col}] = {} vs φ¹·φ² = {recon}); \
728                         the atom is not a constant-leading product basis",
729                        basis_values[[row, col]]
730                    ));
731                }
732            }
733        }
734    }
735
736    // Carve responses = the atom's ambient reconstruction m_k = Φ_k · B_k.
737    let reconstruction = basis_values.dot(&decoder_coefficients);
738
739    // REML re-fit of the reconstruction onto the SAME tensor basis: supplies the
740    // scale-included decoder-coefficient covariance the binding Wald test reads.
741    let surface = fit_tensor_surface(phi_a.view(), phi_b.view(), reconstruction.view())?;
742    let joint_covariance = surface.joint_covariance();
743
744    Ok(FittedAtomCarveInput {
745        phi_a,
746        phi_b,
747        surface,
748        joint_covariance,
749    })
750}
751
752/// Engine cap on knot cells per axis (the grid engine's dense-Cholesky
753/// sizing contract: `p = (K+3)² ≤ 1225`).
754const PAIR_COMPONENT_MAX_CELLS: usize = 32;
755/// Floor on knot cells per axis — below 4 cells the cubic tensor basis has
756/// too little resolution to carry a pair interaction worth carving.
757const PAIR_COMPONENT_MIN_CELLS: usize = 4;
758
759/// Knot cells per axis for the raw-coordinate pair component, chosen from
760/// the sample size alone (magic by default — no knob): `K ≈ n^(1/3)`
761/// clamped to `[4, 32]`. The cube-root growth keeps the basis comfortably
762/// inside the data's resolution (p = (K+3)² ≪ n for all n ≥ ~300) while
763/// REML owns the actual smoothness; the cap is the engine's sizing contract.
764fn pair_component_cells(n: usize) -> usize {
765    ((n as f64).cbrt().ceil() as usize).clamp(PAIR_COMPONENT_MIN_CELLS, PAIR_COMPONENT_MAX_CELLS)
766}
767
768/// Which estimator produced a [`PairSurfaceFit`].
769#[derive(Clone, Copy, Debug, PartialEq, Eq)]
770pub enum PairSurfaceBackend {
771    /// The streaming 2-D grid engine: exact REML on the full anisotropic
772    /// biharmonic penalty (mixed `f_{x1x2}` term included), O(n) assembly,
773    /// exact log-determinants — the first-class pair-component estimator.
774    GridExact,
775    /// The dense ridge fallback ([`fit_tensor_surface`]) on the SAME
776    /// B-spline tensor basis, used only when the grid solve degenerates
777    /// (e.g. a non-positive-definite penalized system or `n − edf < 1`).
778    DenseRidge,
779}
780
781/// A pair-component fit from RAW coordinates: the factor bases it was fit
782/// on (the grid engine's per-axis uniform cubic B-splines, evaluated on the
783/// sample — exactly what [`CarveInput`] consumes, one measure end to end)
784/// plus the [`TensorSurfaceFit`] carve product and which backend produced it.
785#[derive(Clone, Debug)]
786pub struct PairSurfaceFit {
787    /// Axis-1 basis on the sample (`n × (K+3)`, partition of unity).
788    pub phi_a: Array2<f64>,
789    /// Axis-2 basis on the sample (`n × (K+3)`, partition of unity).
790    pub phi_b: Array2<f64>,
791    /// The carve product: coefficients, covariances, λ, EDF.
792    pub surface: TensorSurfaceFit,
793    pub backend: PairSurfaceBackend,
794    /// Lower corner of the per-axis uniform knot range (the data's
795    /// bounding box) — with [`Self::cell_widths`], everything needed to
796    /// rebuild a basis row at an arbitrary point.
797    pub lower_corner: [f64; 2],
798    /// Knot-cell width per axis.
799    pub cell_widths: [f64; 2],
800}
801
802impl PairSurfaceFit {
803    /// Posterior `(mean, variance)` of response dimension `dim` at an
804    /// arbitrary point, through the carve-facing posterior objects — valid
805    /// for BOTH backends, since both populate the same surface contract:
806    /// `mean = b₁ᵀ C_d b₂` and `variance = σ̂²_d · xᵀUx` with `U` the shared
807    /// scale-free coefficient covariance, `σ̂²_d` the residual variance at
808    /// `n − edf`, and `x` the 16-entry tensor basis row. Outside the data
809    /// bounding box the boundary cell's cubic polynomial extends (the grid
810    /// engine's convention).
811    pub fn predict(&self, dim: usize, x1: f64, x2: f64) -> Result<(f64, f64), String> {
812        let d_dims = self.surface.coeffs.len();
813        if dim >= d_dims {
814            return Err(format!(
815                "pair surface: response dimension {dim} out of range (D = {d_dims})"
816            ));
817        }
818        if !(x1.is_finite() && x2.is_finite()) {
819            return Err(format!(
820                "pair surface: non-finite prediction point ({x1}, {x2})"
821            ));
822        }
823        let m = self.phi_a.ncols();
824        let cells = m - 3;
825        let (j1, b1) = axis_basis_at(self.lower_corner[0], self.cell_widths[0], cells, x1);
826        let (j2, b2) = axis_basis_at(self.lower_corner[1], self.cell_widths[1], cells, x2);
827        let c = &self.surface.coeffs[dim];
828        let u = &self.surface.unit_covariance;
829        let mut mean = 0.0;
830        let mut quad = 0.0;
831        for i in 0..4 {
832            for j in 0..4 {
833                let v_ij = b1[i] * b2[j];
834                mean += v_ij * c[[j1 + i, j2 + j]];
835                let g_ij = (j1 + i) * m + (j2 + j);
836                for a in 0..4 {
837                    for b in 0..4 {
838                        quad += v_ij * b1[a] * b2[b] * u[[g_ij, (j1 + a) * m + (j2 + b)]];
839                    }
840                }
841            }
842        }
843        Ok((mean, self.surface.residual_cross_cov[[dim, dim]] * quad))
844    }
845}
846
847/// THE pair-component estimator (#1031): fit the Layer-B ANOVA pair
848/// interaction surface from RAW coordinates, auto-routed with no knobs.
849///
850/// Estimator. A `(K+3)²` tensor of uniform cubic B-splines over the data's
851/// bounding box, penalized by the FULL anisotropic biharmonic energy
852/// `∫∫ a₁²f₁₁² + 2a₁a₂f₁₂² + a₂²f₂₂²` (mixed term included — the roughness
853/// functional no `te()` Kronecker-marginal penalty matches, which is
854/// exactly why this is exposed as its own estimator instead of an
855/// auto-route through the formula smooths: routing `te`/Duchon through it
856/// would silently change their posteriors). One λ is shared across response
857/// dimensions (one surface smoothness), selected by the pooled exact REML
858/// criterion. `K` grows as `n^(1/3)` (capped by the engine's sizing
859/// contract); the metric is pinned to `a_i = L_i²` (squared bounding-box
860/// span per axis), which makes the penalty — and hence the estimator —
861/// invariant to per-axis rescaling of the coordinates, with the leftover
862/// global constant absorbed by λ.
863///
864/// Route. The streaming grid engine evaluates this estimator EXACTLY in
865/// O(n): one scatter-add pass, banded sufficient statistics, exact
866/// log-determinant REML, exact posterior summary. When its solve
867/// degenerates (non-PD penalized system, `n − edf < 1`), the same basis
868/// falls back to the dense ridge path ([`fit_tensor_surface`]) — a
869/// different (heavier, isotropic-in-coefficients) penalty but the same
870/// surface class, so every input that admits a pair component gets one.
871///
872/// The returned bases and fit feed [`CarveInput`] directly (B-splines are
873/// partition-of-unity, so the default `kernel_a`/`kernel_b` gauge applies).
874pub fn fit_pair_surface(
875    x1: &[f64],
876    x2: &[f64],
877    responses: ArrayView2<'_, f64>,
878) -> Result<PairSurfaceFit, String> {
879    let n = x1.len();
880    let d_dims = responses.ncols();
881    if x2.len() != n || responses.nrows() != n {
882        return Err(format!(
883            "fit_pair_surface: sample sizes disagree (x1 {n}, x2 {}, responses {})",
884            x2.len(),
885            responses.nrows()
886        ));
887    }
888    if d_dims == 0 {
889        return Err("fit_pair_surface: no response dimensions".to_string());
890    }
891    // Axis-rescaling-invariant metric a_i = L_i² (see the doc comment).
892    let mut span = [0.0_f64; 2];
893    for (ax, xs) in [x1, x2].into_iter().enumerate() {
894        let mut lo = f64::INFINITY;
895        let mut hi = f64::NEG_INFINITY;
896        for &v in xs {
897            lo = lo.min(v);
898            hi = hi.max(v);
899        }
900        if !(hi > lo && hi.is_finite() && lo.is_finite()) {
901            return Err(format!(
902                "fit_pair_surface: axis {} is degenerate or non-finite ([{lo}, {hi}]); \
903                 no pair surface exists over a collapsed axis",
904                ax + 1
905            ));
906        }
907        span[ax] = hi - lo;
908    }
909    let metric = [span[0] * span[0], span[1] * span[1]];
910    let k = pair_component_cells(n);
911
912    let columns: Vec<Vec<f64>> = (0..d_dims).map(|d| responses.column(d).to_vec()).collect();
913    let column_refs: Vec<&[f64]> = columns.iter().map(Vec::as_slice).collect();
914    let weights = vec![1.0_f64; n];
915    let design = GridSpline2dDesign::build_multi(x1, x2, &column_refs, &weights, k, metric)?;
916
917    // The factor bases on the sample — shared by both routes and by the
918    // carve (one empirical measure end to end).
919    let lower_corner = design.lower_corner();
920    let cell_widths = design.cell_widths();
921    let m = design.basis_per_axis();
922    let mut phi_a = Array2::<f64>::zeros((n, m));
923    let mut phi_b = Array2::<f64>::zeros((n, m));
924    for r in 0..n {
925        let (j0, vals) = design.axis_basis(0, x1[r])?;
926        for (i, &v) in vals.iter().enumerate() {
927            phi_a[[r, j0 + i]] = v;
928        }
929        let (j0, vals) = design.axis_basis(1, x2[r])?;
930        for (i, &v) in vals.iter().enumerate() {
931            phi_b[[r, j0 + i]] = v;
932        }
933    }
934
935    match design
936        .fit_reml()
937        .and_then(|fit| design.posterior(&fit).map(|post| (fit, post)))
938    {
939        Ok((fit, post)) => {
940            let mm = m * m;
941            let mut unit_covariance = Array2::<f64>::zeros((mm, mm));
942            for i in 0..mm {
943                for j in 0..mm {
944                    unit_covariance[[i, j]] = post.unit_covariance[i * mm + j];
945                }
946            }
947            let mut residual_cross_cov = Array2::<f64>::zeros((d_dims, d_dims));
948            for d in 0..d_dims {
949                for e in 0..d_dims {
950                    residual_cross_cov[[d, e]] = post.residual_cross_cov[d * d_dims + e];
951                }
952            }
953            let mut coeffs = Vec::with_capacity(d_dims);
954            let mut coeff_covariance = Vec::with_capacity(d_dims);
955            for d in 0..d_dims {
956                // Engine flat order g = j1·(K+3) + j2 IS the carve's
957                // row-major (j·M₂ + k) vec convention.
958                let mut c = Array2::<f64>::zeros((m, m));
959                for j in 0..m {
960                    for kk in 0..m {
961                        c[[j, kk]] = fit.coeffs[d][j * m + kk];
962                    }
963                }
964                coeffs.push(c);
965                coeff_covariance.push(&unit_covariance * residual_cross_cov[[d, d]]);
966            }
967            Ok(PairSurfaceFit {
968                phi_a,
969                phi_b,
970                surface: TensorSurfaceFit {
971                    coeffs,
972                    coeff_covariance,
973                    residual_cross_cov,
974                    unit_covariance,
975                    lambda: gam_problem::checked_exp_log_strength(fit.log_lambda)
976                        .map_err(|error| format!("ANOVA pair-surface log strength: {error}"))?,
977                    edf: post.edf,
978                    residual_df: post.residual_df,
979                },
980                backend: PairSurfaceBackend::GridExact,
981                lower_corner,
982                cell_widths,
983            })
984        }
985        Err(grid_err) => {
986            let surface =
987                fit_tensor_surface(phi_a.view(), phi_b.view(), responses).map_err(|dense_err| {
988                    format!(
989                        "fit_pair_surface: grid engine degenerated ({grid_err}) and the dense \
990                         ridge fallback failed too ({dense_err})"
991                    )
992                })?;
993            Ok(PairSurfaceFit {
994                phi_a,
995                phi_b,
996                surface,
997                backend: PairSurfaceBackend::DenseRidge,
998                lower_corner,
999                cell_widths,
1000            })
1001        }
1002    }
1003}
1004
1005/// Inputs for one notion's carve over one fitted product atom.
1006///
1007/// `phi_a`/`phi_b`: factor bases evaluated on the code sample (`n × M_i`).
1008/// `coeffs`: per-output-dim coefficient matrices (`M₁ × M₂` each); for the
1009/// representational notion these are the decoder's, for the computational
1010/// notion they come from fitting the same tensor basis to the pulled-back
1011/// readout. `coeff_covariance`: matching scale-included posterior
1012/// covariance of the ROW-MAJOR vec of each `C` (`M₁M₂ × M₁M₂` per output
1013/// dim) — optional; without it the carve still reports the energy
1014/// fraction but runs no Wald test. `kernel_a`/`kernel_b`: the per-factor
1015/// coefficient direction along which the centered basis is degenerate
1016/// (`Σ_j u_j φ̃_j ≡ 0`); `None` selects the partition-of-unity convention
1017/// `u = 1` (B-splines). `edf`: fitted EDF of the interaction block when
1018/// the fit tracked one; `None` uses the full quotient rank
1019/// `(M₁−1)(M₂−1)`.
1020pub struct CarveInput<'a> {
1021    pub phi_a: ArrayView2<'a, f64>,
1022    pub phi_b: ArrayView2<'a, f64>,
1023    pub coeffs: &'a [Array2<f64>],
1024    pub coeff_covariance: Option<&'a [Array2<f64>]>,
1025    /// Covariance of the dimension-major STACKED coefficient vector
1026    /// `[vec(C₀); vec(C₁); …]` (`D·M₁M₂` square, scale-included), e.g.
1027    /// [`TensorSurfaceFit::joint_covariance`]. When present, the
1028    /// edge-level binding p-value comes from ONE joint Wald over the
1029    /// stacked gauge-projected blocks at rank `D·(M₁−1)(M₂−1)` instead of
1030    /// the conservative Bonferroni min-p across dimensions (the per-dim
1031    /// tests share every code row, so Bonferroni over-corrects).
1032    pub joint_coeff_covariance: Option<&'a Array2<f64>>,
1033    pub kernel_a: Option<Array1<f64>>,
1034    pub kernel_b: Option<Array1<f64>>,
1035    pub edf: Option<f64>,
1036    pub residual_df: f64,
1037    pub scale: SmoothTestScale,
1038    pub notion: BindingNotion,
1039}
1040
1041/// The carve: exact ANOVA split, interaction energy, gauge-projected
1042/// binding test, and the fission plan when this notion permits one.
1043///
1044/// Fission rule (asymmetric on purpose): the test REJECTING proves
1045/// binding and always blocks the split; the test NOT rejecting is only
1046/// absence of evidence, so the split additionally requires the
1047/// interaction to be energetically negligible
1048/// ([`FISSION_MAX_INTERACTION_FRACTION`]). An atom with a fat but
1049/// unproven interaction stays whole and contested — route its
1050/// `edge_p_value` into the evidence ledger and let the probe loop earn
1051/// the verdict.
1052pub fn carve(input: &CarveInput<'_>, alpha: f64) -> Result<CarveReport, String> {
1053    let n = input.phi_a.nrows();
1054    if input.phi_b.nrows() != n {
1055        return Err(format!(
1056            "carve: factor bases disagree on sample size ({n} vs {})",
1057            input.phi_b.nrows()
1058        ));
1059    }
1060    if input.coeffs.is_empty() {
1061        return Err("carve: no coefficient matrices supplied".to_string());
1062    }
1063    let m1 = input.phi_a.ncols();
1064    let m2 = input.phi_b.ncols();
1065    if let Some(covs) = input.coeff_covariance
1066        && covs.len() != input.coeffs.len()
1067    {
1068        return Err(format!(
1069            "carve: {} coefficient matrices but {} covariance blocks",
1070            input.coeffs.len(),
1071            covs.len()
1072        ));
1073    }
1074    if !(alpha > 0.0 && alpha < 1.0) {
1075        return Err(format!("carve: alpha must be in (0,1), got {alpha}"));
1076    }
1077
1078    let mean_a = basis_means(input.phi_a);
1079    let mean_b = basis_means(input.phi_b);
1080    // Centered factor evaluations φ̃ = φ − m (n × M_i).
1081    let phi_a_c = {
1082        let mut p = input.phi_a.to_owned();
1083        for mut row in p.rows_mut() {
1084            for j in 0..m1 {
1085                row[j] -= mean_a[j];
1086            }
1087        }
1088        p
1089    };
1090    let phi_b_c = {
1091        let mut p = input.phi_b.to_owned();
1092        for mut row in p.rows_mut() {
1093            for j in 0..m2 {
1094                row[j] -= mean_b[j];
1095            }
1096        }
1097        p
1098    };
1099
1100    // Gauge projectors P_i = I − û ûᵀ for the centered-basis dependence,
1101    // and their Kronecker product (the row-major-vec transform shared by
1102    // the per-dimension and joint Wald tests).
1103    let proj_a = gauge_projector(m1, input.kernel_a.as_ref())?;
1104    let proj_b = gauge_projector(m2, input.kernel_b.as_ref())?;
1105    let gauge_kron = gauge_kron_rowmajor(&proj_a, &proj_b);
1106
1107    let mut child_a: Vec<ChildDecoder> = Vec::with_capacity(input.coeffs.len());
1108    let mut child_b: Vec<ChildDecoder> = Vec::with_capacity(input.coeffs.len());
1109    let mut binding_tests: Vec<Option<SmoothTestResult>> = Vec::with_capacity(input.coeffs.len());
1110    let mut interaction_energy = 0.0f64;
1111    let mut centered_energy = 0.0f64;
1112
1113    for (dim, c) in input.coeffs.iter().enumerate() {
1114        if c.dim() != (m1, m2) {
1115            return Err(format!(
1116                "carve: coefficient matrix {dim} is {:?}, bases say ({m1}, {m2})",
1117                c.dim()
1118            ));
1119        }
1120        let blocks = anova_blocks(c.view(), mean_a.view(), mean_b.view())?;
1121
1122        // Interaction values on the sample: f₁₂(θ_n) = φ̃¹_n ᵀ C φ̃²_n,
1123        // computed as the row-wise dot of (Φ̃₁ C) with Φ̃₂.
1124        let phi_a_c_c = phi_a_c.dot(c);
1125        let main_a_vals = phi_a_c.dot(&blocks.main_a);
1126        let main_b_vals = phi_b_c.dot(&blocks.main_b);
1127        for row in 0..n {
1128            let mut f12 = 0.0f64;
1129            for k in 0..m2 {
1130                f12 += phi_a_c_c[[row, k]] * phi_b_c[[row, k]];
1131            }
1132            interaction_energy += f12 * f12;
1133            let centered = main_a_vals[row] + main_b_vals[row] + f12;
1134            centered_energy += centered * centered;
1135        }
1136
1137        // Gauge-projected Wald test of the interaction block.
1138        let test = match input.coeff_covariance {
1139            None => None,
1140            Some(covs) => binding_wald_test(
1141                c,
1142                &covs[dim],
1143                &proj_a,
1144                &proj_b,
1145                &gauge_kron,
1146                input.edf,
1147                input.residual_df,
1148                input.scale,
1149            ),
1150        };
1151        binding_tests.push(test);
1152
1153        child_a.push(ChildDecoder {
1154            constant: blocks.mean,
1155            centered_coeffs: blocks.main_a,
1156        });
1157        child_b.push(ChildDecoder {
1158            constant: 0.0,
1159            centered_coeffs: blocks.main_b,
1160        });
1161    }
1162
1163    let interaction_fraction = if centered_energy > 0.0 {
1164        interaction_energy / centered_energy
1165    } else {
1166        0.0
1167    };
1168    // Edge-level p: the joint Wald over the stacked gauge-projected
1169    // blocks when the cross-dimension covariance is available (exact
1170    // rank, no Bonferroni slack), else Bonferroni min-p across the
1171    // per-dimension tests (valid under their arbitrary dependence,
1172    // conservative).
1173    let edge_p_value = match input.joint_coeff_covariance {
1174        Some(joint_cov) => joint_binding_wald_test(
1175            input.coeffs,
1176            joint_cov,
1177            &proj_a,
1178            &proj_b,
1179            &gauge_kron,
1180            input.edf,
1181            input.residual_df,
1182            input.scale,
1183        )
1184        .map(|t| t.p_value),
1185        None => {
1186            let ran: Vec<f64> = binding_tests.iter().flatten().map(|t| t.p_value).collect();
1187            ran.iter()
1188                .cloned()
1189                .fold(None, |acc: Option<f64>, p| {
1190                    Some(acc.map_or(p, |a| a.min(p)))
1191                })
1192                .map(|min_p| (min_p * ran.len() as f64).min(1.0))
1193        }
1194    };
1195
1196    // A Wald test cannot prove the PRESENCE of an interaction whose energy is
1197    // numerically indistinguishable from zero. When the interaction block is at
1198    // the f64 roundoff floor (an exactly-additive surface fit to machine
1199    // precision), the scale-included posterior collapses with it and the Wald
1200    // statistic becomes a 0/0 artifact that can read as overwhelmingly
1201    // significant (p ≈ 0). Below the floor the surface is additive by
1202    // construction, so no statistic counts as binding and the atom is free to
1203    // fission — see `INTERACTION_NUMERICAL_FLOOR`.
1204    let numerically_additive = interaction_fraction <= INTERACTION_NUMERICAL_FLOOR;
1205    let binding_proven = !numerically_additive && edge_p_value.is_some_and(|p| p <= alpha);
1206    let negligible = interaction_fraction <= FISSION_MAX_INTERACTION_FRACTION;
1207    let fission = if negligible && !binding_proven {
1208        Some(FissionPlan {
1209            child_a,
1210            child_b,
1211            reconstruction_defect: interaction_fraction,
1212        })
1213    } else {
1214        None
1215    };
1216
1217    Ok(CarveReport {
1218        notion: input.notion,
1219        binding_tests,
1220        edge_p_value,
1221        interaction_fraction,
1222        fission,
1223    })
1224}
1225
1226/// Joint adjudication across the two binding notions (see
1227/// [`FissionDecision`]). `representational` must be a
1228/// [`BindingNotion::Representational`] report; `computational`, when the
1229/// #980 pulled-back coefficients were available, the matching
1230/// [`BindingNotion::Computational`] one.
1231pub fn fission_decision(
1232    representational: &CarveReport,
1233    computational: Option<&CarveReport>,
1234) -> FissionDecision {
1235    if representational.fission.is_none() {
1236        return FissionDecision::Keep;
1237    }
1238    match computational {
1239        Some(comp) => {
1240            if comp.fission.is_some() {
1241                FissionDecision::SplitCertifiedJoint
1242            } else {
1243                FissionDecision::Keep
1244            }
1245        }
1246        None => FissionDecision::SplitReconstructionOnly,
1247    }
1248}
1249
1250/// `P = I − û ûᵀ` for the factor's centered-basis kernel direction
1251/// (default: the partition-of-unity vector of ones). Projecting the
1252/// interaction block with these on both sides picks the unique gauge
1253/// representative with no component along the directions that do not
1254/// change `f₁₂`.
1255fn gauge_projector(m: usize, kernel: Option<&Array1<f64>>) -> Result<Array2<f64>, String> {
1256    let u = match kernel {
1257        Some(k) => {
1258            if k.len() != m {
1259                return Err(format!(
1260                    "gauge_projector: kernel length {} != basis size {m}",
1261                    k.len()
1262                ));
1263            }
1264            k.clone()
1265        }
1266        None => Array1::<f64>::ones(m),
1267    };
1268    let norm_sq: f64 = u.dot(&u);
1269    let mut p = Array2::<f64>::eye(m);
1270    if norm_sq > 0.0 {
1271        for i in 0..m {
1272            for j in 0..m {
1273                p[[i, j]] -= u[i] * u[j] / norm_sq;
1274            }
1275        }
1276    }
1277    Ok(p)
1278}
1279
1280/// `K = P₁ ⊗ P₂` under the row-major vec convention
1281/// (`vec(A X B)[a·M₂+c] = Σ A[a,j]·B[k,c]·vec(X)[j·M₂+k]`; `P₂`
1282/// symmetric) — the coefficient-space transform realizing the gauge
1283/// projection `C ↦ P₁ C P₂` on row-major vecs. Built once per carve and
1284/// shared by the per-dimension and joint Wald tests.
1285fn gauge_kron_rowmajor(proj_a: &Array2<f64>, proj_b: &Array2<f64>) -> Array2<f64> {
1286    let m1 = proj_a.nrows();
1287    let m2 = proj_b.nrows();
1288    let mm = m1 * m2;
1289    let mut kron = Array2::<f64>::zeros((mm, mm));
1290    for a in 0..m1 {
1291        for j in 0..m1 {
1292            let pa = proj_a[[a, j]];
1293            if pa == 0.0 {
1294                continue;
1295            }
1296            for cc in 0..m2 {
1297                for k in 0..m2 {
1298                    kron[[a * m2 + cc, j * m2 + k]] = pa * proj_b[[k, cc]];
1299                }
1300            }
1301        }
1302    }
1303    kron
1304}
1305
1306/// Wald test of `f₁₂ ≡ 0` for one output dimension: transform the raw
1307/// interaction coefficients to the gauge quotient (`z = vec(P₁ C P₂)`,
1308/// row-major; `Σ_z = K Σ Kᵀ` with `K = P₁ ⊗ P₂`) and hand the projected
1309/// block to [`wood_smooth_test`] at the quotient rank. Returns `None`
1310/// when the test degenerates (the caller records "not tested", which is
1311/// not "additive").
1312fn binding_wald_test(
1313    c: &Array2<f64>,
1314    cov: &Array2<f64>,
1315    proj_a: &Array2<f64>,
1316    proj_b: &Array2<f64>,
1317    gauge_kron: &Array2<f64>,
1318    edf: Option<f64>,
1319    residual_df: f64,
1320    scale: SmoothTestScale,
1321) -> Option<SmoothTestResult> {
1322    let (m1, m2) = c.dim();
1323    let mm = m1 * m2;
1324    if cov.dim() != (mm, mm) {
1325        return None;
1326    }
1327    // z = vec(P₁ C P₂), row-major.
1328    let projected = proj_a.dot(c).dot(proj_b);
1329    let mut z = Array1::<f64>::zeros(mm);
1330    for j in 0..m1 {
1331        for k in 0..m2 {
1332            z[j * m2 + k] = projected[[j, k]];
1333        }
1334    }
1335    let cov_z = gauge_kron.dot(cov).dot(&gauge_kron.t());
1336    let quotient_rank = ((m1.saturating_sub(1)) * (m2.saturating_sub(1))).max(1) as f64;
1337    let edf = edf.unwrap_or(quotient_rank).min(quotient_rank);
1338    wood_smooth_test(SmoothTestInput {
1339        beta: z.view(),
1340        covariance: &cov_z,
1341        influence_matrix: None,
1342        whitening_gram: None,
1343        coeff_range: 0..mm,
1344        edf,
1345        nullspace_dim: 0,
1346        residual_df: Some(residual_df),
1347        scale,
1348    })
1349}
1350
1351/// ONE Wald test of `f₁₂ ≡ 0 across all output dimensions jointly` (#993
1352/// item 4): stack the gauge-projected interaction vecs dimension-major,
1353/// transform the supplied joint covariance by the block-diagonal
1354/// `I_D ⊗ K`, and test at the joint quotient rank `D·(M₁−1)(M₂−1)`. This
1355/// replaces the Bonferroni combination exactly where Bonferroni is
1356/// loosest — strongly cross-correlated output dimensions (they share
1357/// every code row).
1358fn joint_binding_wald_test(
1359    coeffs: &[Array2<f64>],
1360    joint_cov: &Array2<f64>,
1361    proj_a: &Array2<f64>,
1362    proj_b: &Array2<f64>,
1363    gauge_kron: &Array2<f64>,
1364    edf: Option<f64>,
1365    residual_df: f64,
1366    scale: SmoothTestScale,
1367) -> Option<SmoothTestResult> {
1368    let d_dims = coeffs.len();
1369    if d_dims == 0 {
1370        return None;
1371    }
1372    let (m1, m2) = coeffs[0].dim();
1373    let mm = m1 * m2;
1374    let total = d_dims * mm;
1375    if joint_cov.dim() != (total, total) {
1376        return None;
1377    }
1378    // Stacked z: dimension-major [vec(P₁C₀P₂); vec(P₁C₁P₂); …].
1379    let mut z = Array1::<f64>::zeros(total);
1380    for (d, c) in coeffs.iter().enumerate() {
1381        let projected = proj_a.dot(c).dot(proj_b);
1382        for j in 0..m1 {
1383            for k in 0..m2 {
1384                z[d * mm + j * m2 + k] = projected[[j, k]];
1385            }
1386        }
1387    }
1388    // Σ_z = (I_D ⊗ K) · J · (I_D ⊗ K)ᵀ, computed blockwise.
1389    let mut cov_z = Array2::<f64>::zeros((total, total));
1390    for d in 0..d_dims {
1391        for e in 0..d_dims {
1392            let block = joint_cov.slice(s![d * mm..(d + 1) * mm, e * mm..(e + 1) * mm]);
1393            let transformed = gauge_kron.dot(&block).dot(&gauge_kron.t());
1394            cov_z
1395                .slice_mut(s![d * mm..(d + 1) * mm, e * mm..(e + 1) * mm])
1396                .assign(&transformed);
1397        }
1398    }
1399    let quotient_rank = ((m1.saturating_sub(1)) * (m2.saturating_sub(1))).max(1) as f64;
1400    let per_dim_edf = edf.unwrap_or(quotient_rank).min(quotient_rank);
1401    wood_smooth_test(SmoothTestInput {
1402        beta: z.view(),
1403        covariance: &cov_z,
1404        influence_matrix: None,
1405        whitening_gram: None,
1406        coeff_range: 0..total,
1407        edf: per_dim_edf * d_dims as f64,
1408        nullspace_dim: 0,
1409        residual_df: Some(residual_df),
1410        scale,
1411    })
1412}
1413
1414#[cfg(test)]
1415mod tests {
1416    use super::*;
1417    use ndarray::array;
1418
1419    /// A tiny partition-of-unity "hat" basis on a 3-point sample: rows sum
1420    /// to 1, columns are linearly independent over the sample.
1421    fn pou_basis() -> Array2<f64> {
1422        array![
1423            [0.7, 0.2, 0.1],
1424            [0.2, 0.6, 0.2],
1425            [0.1, 0.3, 0.6],
1426            [0.5, 0.4, 0.1],
1427            [0.1, 0.2, 0.7],
1428        ]
1429    }
1430
1431    fn pou_basis_b() -> Array2<f64> {
1432        array![
1433            [0.6, 0.3, 0.1],
1434            [0.1, 0.8, 0.1],
1435            [0.3, 0.3, 0.4],
1436            [0.2, 0.5, 0.3],
1437            [0.4, 0.1, 0.5],
1438        ]
1439    }
1440
1441    /// The reparameterization is an identity: blocks + interaction values
1442    /// reassemble the raw surface exactly, sample point by sample point.
1443    #[test]
1444    fn anova_reparameterization_is_exact() {
1445        let phi_a = pou_basis();
1446        let phi_b = pou_basis_b();
1447        let c = array![[1.3, -0.4, 0.2], [0.0, 0.8, -1.1], [2.0, 0.5, 0.3]];
1448        let mean_a = basis_means(phi_a.view());
1449        let mean_b = basis_means(phi_b.view());
1450        let blocks = anova_blocks(c.view(), mean_a.view(), mean_b.view()).expect("blocks");
1451
1452        for row in 0..phi_a.nrows() {
1453            let pa = phi_a.row(row);
1454            let pb = phi_b.row(row);
1455            let raw = pa.dot(&c.dot(&pb.to_owned()));
1456            let pa_c: Array1<f64> = &pa.to_owned() - &mean_a;
1457            let pb_c: Array1<f64> = &pb.to_owned() - &mean_b;
1458            let f12 = pa_c.dot(&c.dot(&pb_c));
1459            let rebuilt = blocks.mean + pa_c.dot(&blocks.main_a) + pb_c.dot(&blocks.main_b) + f12;
1460            assert!(
1461                (raw - rebuilt).abs() < 1e-12,
1462                "row {row}: raw {raw} vs rebuilt {rebuilt}"
1463            );
1464        }
1465    }
1466
1467    /// A planted ADDITIVE surface (`C = a·1ᵀ + 1·bᵀ` on partition-of-unity
1468    /// bases) has identically zero interaction, fissions, and the children
1469    /// reassemble the parent exactly (lossless split, defect 0).
1470    #[test]
1471    fn planted_additive_torus_fissions_losslessly() {
1472        let phi_a = pou_basis();
1473        let phi_b = pou_basis_b();
1474        let a = array![1.0, -0.5, 2.0];
1475        let b = array![0.3, 1.7, -1.0];
1476        let mut c = Array2::<f64>::zeros((3, 3));
1477        for j in 0..3 {
1478            for k in 0..3 {
1479                c[[j, k]] = a[j] + b[k];
1480            }
1481        }
1482        let input = CarveInput {
1483            phi_a: phi_a.view(),
1484            phi_b: phi_b.view(),
1485            coeffs: &[c.clone()],
1486            coeff_covariance: None,
1487            joint_coeff_covariance: None,
1488            kernel_a: None,
1489            kernel_b: None,
1490            edf: None,
1491            residual_df: 100.0,
1492            scale: SmoothTestScale::Known,
1493            notion: BindingNotion::Representational,
1494        };
1495        let report = carve(&input, 0.05).expect("carve");
1496        assert!(report.interaction_fraction < 1e-24);
1497        let plan = report
1498            .fission
1499            .as_ref()
1500            .expect("additive surface must fission");
1501        assert!(plan.reconstruction_defect < 1e-24);
1502
1503        // Children reassemble the parent surface exactly.
1504        let mean_a = basis_means(phi_a.view());
1505        let mean_b = basis_means(phi_b.view());
1506        for row in 0..phi_a.nrows() {
1507            let pa = phi_a.row(row);
1508            let pb = phi_b.row(row);
1509            let raw = pa.dot(&c.dot(&pb.to_owned()));
1510            let pa_c: Array1<f64> = &pa.to_owned() - &mean_a;
1511            let pb_c: Array1<f64> = &pb.to_owned() - &mean_b;
1512            let child_sum = plan.child_a[0].constant
1513                + pa_c.dot(&plan.child_a[0].centered_coeffs)
1514                + plan.child_b[0].constant
1515                + pb_c.dot(&plan.child_b[0].centered_coeffs);
1516            assert!((raw - child_sum).abs() < 1e-12);
1517        }
1518
1519        // Raw-coefficient form on the partition-of-unity basis agrees too.
1520        let raw_a = plan.child_a[0].raw_coeffs_partition_of_unity(mean_a.view());
1521        for row in 0..phi_a.nrows() {
1522            let pa = phi_a.row(row);
1523            let pa_c: Array1<f64> = &pa.to_owned() - &mean_a;
1524            let via_centered =
1525                plan.child_a[0].constant + pa_c.dot(&plan.child_a[0].centered_coeffs);
1526            assert!((pa.dot(&raw_a) - via_centered).abs() < 1e-12);
1527        }
1528    }
1529
1530    /// A planted BOUND surface (rank-1 centered interaction) must refuse
1531    /// to fission, and with a tight posterior the binding test must reject;
1532    /// the planted additive surface under the same covariance must NOT
1533    /// reject — the asymmetry that makes the test a test.
1534    #[test]
1535    fn planted_bound_torus_refuses_and_test_rejects() {
1536        let phi_a = pou_basis();
1537        let phi_b = pou_basis_b();
1538        // Centered directions (orthogonal to the PoU kernel = ones).
1539        let at = array![1.0, -1.0, 0.0];
1540        let bt = array![0.0, 1.0, -1.0];
1541        let mut c = Array2::<f64>::zeros((3, 3));
1542        for j in 0..3 {
1543            for k in 0..3 {
1544                c[[j, k]] = 2.0 * at[j] * bt[k];
1545            }
1546        }
1547        // Tight scale-included posterior: σ² = 1e-4 per coefficient.
1548        let cov = Array2::<f64>::eye(9) * 1e-4;
1549        let input = CarveInput {
1550            phi_a: phi_a.view(),
1551            phi_b: phi_b.view(),
1552            coeffs: &[c],
1553            coeff_covariance: Some(std::slice::from_ref(&cov)),
1554            joint_coeff_covariance: None,
1555            kernel_a: None,
1556            kernel_b: None,
1557            edf: None,
1558            residual_df: 100.0,
1559            scale: SmoothTestScale::Known,
1560            notion: BindingNotion::Representational,
1561        };
1562        let report = carve(&input, 0.05).expect("carve");
1563        assert!(report.fission.is_none(), "bound surface must not fission");
1564        assert!(report.interaction_fraction > 0.1);
1565        let p = report.edge_p_value.expect("test ran");
1566        assert!(p < 1e-6, "strong planted binding must reject, p = {p}");
1567
1568        // The additive surface, same covariance: no rejection.
1569        let a = array![1.0, -0.5, 2.0];
1570        let b = array![0.3, 1.7, -1.0];
1571        let mut c_add = Array2::<f64>::zeros((3, 3));
1572        for j in 0..3 {
1573            for k in 0..3 {
1574                c_add[[j, k]] = a[j] + b[k];
1575            }
1576        }
1577        let input_add = CarveInput {
1578            phi_a: phi_a.view(),
1579            phi_b: phi_b.view(),
1580            coeffs: &[c_add],
1581            coeff_covariance: Some(std::slice::from_ref(&cov)),
1582            joint_coeff_covariance: None,
1583            kernel_a: None,
1584            kernel_b: None,
1585            edf: None,
1586            residual_df: 100.0,
1587            scale: SmoothTestScale::Known,
1588            notion: BindingNotion::Representational,
1589        };
1590        let report_add = carve(&input_add, 0.05).expect("carve");
1591        let p_add = report_add.edge_p_value.expect("test ran");
1592        assert!(
1593            p_add > 0.99,
1594            "additive surface carries zero projected interaction, p = {p_add}"
1595        );
1596        assert!(report_add.fission.is_some());
1597    }
1598
1599    /// The gauge directions (`u vᵀ + w uᵀ`) contribute NOTHING to the test
1600    /// statistic: adding them to a planted-additive coefficient matrix
1601    /// leaves the projected interaction (and hence the p-value) unchanged.
1602    #[test]
1603    fn gauge_directions_do_not_enter_the_binding_test() {
1604        let phi_a = pou_basis();
1605        let phi_b = pou_basis_b();
1606        let mut c = Array2::<f64>::zeros((3, 3));
1607        // Pure gauge: u vᵀ + w uᵀ with u = ones.
1608        let v = array![0.4, -1.2, 0.7];
1609        let w = array![-0.9, 0.1, 0.5];
1610        for j in 0..3 {
1611            for k in 0..3 {
1612                c[[j, k]] = v[k] + w[j];
1613            }
1614        }
1615        let cov = Array2::<f64>::eye(9) * 1e-4;
1616        let input = CarveInput {
1617            phi_a: phi_a.view(),
1618            phi_b: phi_b.view(),
1619            coeffs: &[c],
1620            coeff_covariance: Some(std::slice::from_ref(&cov)),
1621            joint_coeff_covariance: None,
1622            kernel_a: None,
1623            kernel_b: None,
1624            edf: None,
1625            residual_df: 100.0,
1626            scale: SmoothTestScale::Known,
1627            notion: BindingNotion::Representational,
1628        };
1629        let report = carve(&input, 0.05).expect("carve");
1630        // u vᵀ + w uᵀ IS additive (it is f₁ + f₂ on a PoU basis), so the
1631        // projected interaction is exactly zero.
1632        assert!(report.interaction_fraction < 1e-24);
1633        let p = report.edge_p_value.expect("test ran");
1634        assert!(p > 0.99, "pure-gauge coefficients must not reject, p = {p}");
1635    }
1636
1637    /// A deterministic Bernstein (degree-2, partition-of-unity) basis
1638    /// evaluated on `n` scattered points, with two decorrelated sample
1639    /// mappings so the tensor design is well-conditioned.
1640    fn bernstein_pair(n: usize) -> (Array2<f64>, Array2<f64>) {
1641        let mut phi_a = Array2::<f64>::zeros((n, 3));
1642        let mut phi_b = Array2::<f64>::zeros((n, 3));
1643        for t in 0..n {
1644            let x = t as f64 / (n - 1) as f64;
1645            let z = ((t * 17) % n) as f64 / (n - 1) as f64;
1646            phi_a[[t, 0]] = (1.0 - x) * (1.0 - x);
1647            phi_a[[t, 1]] = 2.0 * x * (1.0 - x);
1648            phi_a[[t, 2]] = x * x;
1649            phi_b[[t, 0]] = (1.0 - z) * (1.0 - z);
1650            phi_b[[t, 1]] = 2.0 * z * (1.0 - z);
1651            phi_b[[t, 2]] = z * z;
1652        }
1653        (phi_a, phi_b)
1654    }
1655
1656    fn surface_values(phi_a: &Array2<f64>, phi_b: &Array2<f64>, c: &Array2<f64>) -> Array1<f64> {
1657        let n = phi_a.nrows();
1658        let mut y = Array1::<f64>::zeros(n);
1659        for r in 0..n {
1660            y[r] = phi_a.row(r).dot(&c.dot(&phi_b.row(r).to_owned()));
1661        }
1662        y
1663    }
1664
1665    /// END-TO-END (#993 items 1+2+4): fit_tensor_surface recovers a
1666    /// planted BOUND two-dimensional surface from noisy samples, its
1667    /// covariance feeds the carve, and the JOINT cross-dim Wald (via
1668    /// `joint_covariance`) proves the binding while fission refuses.
1669    #[test]
1670    fn tensor_surface_fit_to_carve_proves_planted_binding_jointly() {
1671        let n = 40usize;
1672        let (phi_a, phi_b) = bernstein_pair(n);
1673        // Two distinct bound surfaces (additive part + centered rank-1
1674        // interaction) so the residual cross-covariance is well-conditioned.
1675        let at = array![1.0, -1.0, 0.0];
1676        let bt = array![0.0, 1.0, -1.0];
1677        let mut c0 = Array2::<f64>::zeros((3, 3));
1678        let mut c1 = Array2::<f64>::zeros((3, 3));
1679        let a = array![1.0, -0.5, 2.0];
1680        let b = array![0.3, 1.7, -1.0];
1681        for j in 0..3 {
1682            for k in 0..3 {
1683                c0[[j, k]] = a[j] + b[k] + 2.0 * at[j] * bt[k];
1684                c1[[j, k]] = 0.5 * a[j] - b[k] - 1.5 * at[j] * bt[k];
1685            }
1686        }
1687        let y0 = surface_values(&phi_a, &phi_b, &c0);
1688        let y1 = surface_values(&phi_a, &phi_b, &c1);
1689        let mut responses = Array2::<f64>::zeros((n, 2));
1690        for t in 0..n {
1691            responses[[t, 0]] = y0[t] + 1e-3 * (1.3 * t as f64).sin();
1692            responses[[t, 1]] = y1[t] + 1e-3 * (2.1 * t as f64).cos();
1693        }
1694
1695        let fit = fit_tensor_surface(phi_a.view(), phi_b.view(), responses.view()).expect("fit");
1696        // Coefficient recovery within noise scale (ridge bias included).
1697        for j in 0..3 {
1698            for k in 0..3 {
1699                assert!(
1700                    (fit.coeffs[0][[j, k]] - c0[[j, k]]).abs() < 0.05,
1701                    "C₀[{j},{k}]: fit {} vs planted {}",
1702                    fit.coeffs[0][[j, k]],
1703                    c0[[j, k]]
1704                );
1705            }
1706        }
1707        // Kronecker consistency: the joint covariance's diagonal block d
1708        // equals the per-dimension Vb exactly.
1709        let joint = fit.joint_covariance();
1710        let mm = 9usize;
1711        for i in 0..mm {
1712            for j in 0..mm {
1713                assert!((joint[[i, j]] - fit.coeff_covariance[0][[i, j]]).abs() < 1e-15);
1714                assert!((joint[[mm + i, mm + j]] - fit.coeff_covariance[1][[i, j]]).abs() < 1e-15);
1715            }
1716        }
1717
1718        let input = CarveInput {
1719            phi_a: phi_a.view(),
1720            phi_b: phi_b.view(),
1721            coeffs: &fit.coeffs,
1722            coeff_covariance: Some(&fit.coeff_covariance),
1723            joint_coeff_covariance: Some(&joint),
1724            kernel_a: None,
1725            kernel_b: None,
1726            edf: None,
1727            residual_df: fit.residual_df,
1728            scale: SmoothTestScale::Estimated,
1729            notion: BindingNotion::Representational,
1730        };
1731        let report = carve(&input, 0.05).expect("carve");
1732        let p = report.edge_p_value.expect("joint test ran");
1733        assert!(p < 1e-3, "planted joint binding must reject, p = {p}");
1734        assert!(report.fission.is_none(), "bound surface must not fission");
1735        assert!(report.interaction_fraction > 0.05);
1736    }
1737
1738    /// END-TO-END, additive side: a planted ADDITIVE surface fit from
1739    /// near-noiseless samples carries negligible interaction energy and
1740    /// fissions (energy-only path — no covariance handed to the carve, so
1741    /// the decision rests on the dial alone).
1742    #[test]
1743    fn tensor_surface_fit_additive_surface_fissions() {
1744        let n = 40usize;
1745        let (phi_a, phi_b) = bernstein_pair(n);
1746        let a = array![1.0, -0.5, 2.0];
1747        let b = array![0.3, 1.7, -1.0];
1748        let mut c_add = Array2::<f64>::zeros((3, 3));
1749        for j in 0..3 {
1750            for k in 0..3 {
1751                c_add[[j, k]] = a[j] + b[k];
1752            }
1753        }
1754        let y = surface_values(&phi_a, &phi_b, &c_add);
1755        let mut responses = Array2::<f64>::zeros((n, 1));
1756        for t in 0..n {
1757            responses[[t, 0]] = y[t] + 1e-5 * (0.9 * t as f64).sin();
1758        }
1759        let fit = fit_tensor_surface(phi_a.view(), phi_b.view(), responses.view()).expect("fit");
1760        let input = CarveInput {
1761            phi_a: phi_a.view(),
1762            phi_b: phi_b.view(),
1763            coeffs: &fit.coeffs,
1764            coeff_covariance: None,
1765            joint_coeff_covariance: None,
1766            kernel_a: None,
1767            kernel_b: None,
1768            edf: None,
1769            residual_df: fit.residual_df,
1770            scale: SmoothTestScale::Estimated,
1771            notion: BindingNotion::Representational,
1772        };
1773        let report = carve(&input, 0.05).expect("carve");
1774        assert!(
1775            report.interaction_fraction < FISSION_MAX_INTERACTION_FRACTION,
1776            "additive surface fit must carry negligible interaction \
1777             (fraction = {})",
1778            report.interaction_fraction
1779        );
1780        assert!(report.fission.is_some());
1781    }
1782
1783    /// The three-valued joint decision: both arms additive → joint
1784    /// certificate; representational only → reconstruction-only; a bound
1785    /// computational arm vetoes a clean representational split (the
1786    /// off-diagonal quadrant that motivates the pair).
1787    #[test]
1788    fn fission_decision_distinguishes_the_quadrants() {
1789        let splittable = CarveReport {
1790            notion: BindingNotion::Representational,
1791            binding_tests: vec![],
1792            edge_p_value: None,
1793            interaction_fraction: 0.0,
1794            fission: Some(FissionPlan {
1795                child_a: vec![],
1796                child_b: vec![],
1797                reconstruction_defect: 0.0,
1798            }),
1799        };
1800        let mut comp_splittable = splittable.clone();
1801        comp_splittable.notion = BindingNotion::Computational;
1802        let comp_bound = CarveReport {
1803            notion: BindingNotion::Computational,
1804            binding_tests: vec![],
1805            edge_p_value: Some(1e-9),
1806            interaction_fraction: 0.4,
1807            fission: None,
1808        };
1809
1810        assert_eq!(
1811            fission_decision(&splittable, Some(&comp_splittable)),
1812            FissionDecision::SplitCertifiedJoint
1813        );
1814        assert_eq!(
1815            fission_decision(&splittable, None),
1816            FissionDecision::SplitReconstructionOnly
1817        );
1818        assert_eq!(
1819            fission_decision(&splittable, Some(&comp_bound)),
1820            FissionDecision::Keep
1821        );
1822        let kept = CarveReport {
1823            fission: None,
1824            ..splittable.clone()
1825        };
1826        assert_eq!(fission_decision(&kept, None), FissionDecision::Keep);
1827    }
1828
1829    /// A constant-leading factor basis (column 0 ≡ 1, like the harmonic
1830    /// factors' constant term) on a small sample.
1831    fn constant_leading_factor(n: usize, m: usize, seed: u64) -> Array2<f64> {
1832        let mut phi = Array2::<f64>::zeros((n, m));
1833        let mut s = seed;
1834        for row in 0..n {
1835            phi[[row, 0]] = 1.0;
1836            for col in 1..m {
1837                // Deterministic LCG in [-1, 1).
1838                s = s
1839                    .wrapping_mul(6364136223846793005)
1840                    .wrapping_add(1442695040888963407);
1841                let u = ((s >> 11) as f64) / ((1u64 << 53) as f64);
1842                phi[[row, col]] = 2.0 * u - 1.0;
1843            }
1844        }
1845        phi
1846    }
1847
1848    /// #993 producer: `carve_input_from_fitted_atom` recovers the two factor
1849    /// bases EXACTLY from the fused Kronecker basis (constant-leading column
1850    /// convention), and the re-fit surface reconstructs the decoder's own
1851    /// tensor coefficients — so a real fitted product atom feeds the carve.
1852    #[test]
1853    fn producer_recovers_factor_bases_and_surface_from_fused_atom() {
1854        let n = 40;
1855        let (m_a, m_b) = (3, 4);
1856        let p = 2;
1857        let phi_a = constant_leading_factor(n, m_a, 0xA993);
1858        let phi_b = constant_leading_factor(n, m_b, 0xB993);
1859
1860        // Fused Kronecker basis, row-major column flat = j*m_b + k.
1861        let mut fused = Array2::<f64>::zeros((n, m_a * m_b));
1862        for row in 0..n {
1863            for j in 0..m_a {
1864                for k in 0..m_b {
1865                    fused[[row, j * m_b + k]] = phi_a[[row, j]] * phi_b[[row, k]];
1866                }
1867            }
1868        }
1869        // An arbitrary decoder B_k (M₁M₂ × p).
1870        let mut decoder = Array2::<f64>::zeros((m_a * m_b, p));
1871        let mut s = 0xD00D_u64;
1872        for r in 0..(m_a * m_b) {
1873            for c in 0..p {
1874                s = s
1875                    .wrapping_mul(6364136223846793005)
1876                    .wrapping_add(1442695040888963407);
1877                let u = ((s >> 11) as f64) / ((1u64 << 53) as f64);
1878                decoder[[r, c]] = 2.0 * u - 1.0;
1879            }
1880        }
1881
1882        let bundle =
1883            carve_input_from_fitted_atom(fused.view(), decoder.view(), m_a, m_b).expect("producer");
1884
1885        // Factor bases recovered to machine precision.
1886        let mut max_a = 0.0_f64;
1887        for row in 0..n {
1888            for j in 0..m_a {
1889                max_a = max_a.max((bundle.phi_a[[row, j]] - phi_a[[row, j]]).abs());
1890            }
1891        }
1892        let mut max_b = 0.0_f64;
1893        for row in 0..n {
1894            for k in 0..m_b {
1895                max_b = max_b.max((bundle.phi_b[[row, k]] - phi_b[[row, k]]).abs());
1896            }
1897        }
1898        assert!(max_a < 1e-12, "phi_a recovery error {max_a:e}");
1899        assert!(max_b < 1e-12, "phi_b recovery error {max_b:e}");
1900
1901        // The carve input is well-formed: p coefficient matrices, each M₁×M₂,
1902        // with matching covariance blocks and the joint Kronecker covariance.
1903        let input = bundle.representational_carve_input();
1904        assert_eq!(input.coeffs.len(), p);
1905        for c in input.coeffs {
1906            assert_eq!(c.dim(), (m_a, m_b));
1907        }
1908        assert_eq!(
1909            bundle.joint_covariance.dim(),
1910            (p * m_a * m_b, p * m_a * m_b)
1911        );
1912
1913        // The carve runs end-to-end on the producer's output.
1914        let report = carve(&input, 0.05).expect("carve on producer output");
1915        assert_eq!(report.notion, BindingNotion::Representational);
1916        assert!(
1917            report.edge_p_value.is_some(),
1918            "binding p-value must be produced"
1919        );
1920    }
1921
1922    /// A non-separable fused basis (not a Kronecker product of two factors) is
1923    /// rejected loudly, not silently mis-carved.
1924    #[test]
1925    fn producer_rejects_non_separable_basis() {
1926        let n = 12;
1927        let (m_a, m_b) = (2, 2);
1928        let mut fused = Array2::<f64>::from_elem((n, m_a * m_b), 1.0);
1929        // Break separability in one entry only.
1930        fused[[3, 3]] = 7.0;
1931        let decoder = Array2::<f64>::ones((m_a * m_b, 1));
1932        let err = carve_input_from_fitted_atom(fused.view(), decoder.view(), m_a, m_b)
1933            .expect_err("non-separable basis must be rejected");
1934        assert!(
1935            err.contains("Kronecker product"),
1936            "rejection must name the separability failure; got: {err}"
1937        );
1938    }
1939}